7-(2-chlorobenzyl)-3-methyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chlorophenyl)methyl]-3-methyl-8-octylsulfanylpurine-2,6-dione
Also Known As: BAS 00620063|7-(2-chlorobenzyl)-3-methyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione|AG-690/11572023|7-[(2-chlorophenyl)methyl]-3-methyl-8-octylsulfanylpurine-2,6-dione|7-(2-Chloro-benzyl)-3-methyl-8-octylsulfanyl-3,7-dihydro-purine-2,6-dione|7-(2-chlorobenzyl)-3-methyl-8-(octylthio)-1H-purine-2,6(3H,7H)-dione|7-[(2-chlorophenyl)methyl]-3-methyl-8-(octylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione|7-(2-chlorobenzyl)-3-methyl-8-(octylthio)-3,7-dihydro-1H-purine-2,6-dione|7-[(2-chlorophenyl)methyl]-3-methyl-8-octylthio-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C21H27ClN4O2S |
|---|---|
| Molecular Weight | 434.15433 g/mol |
| LogP | 4.5776 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 434.15433 |
| Monoisotopic Mass | 434.15433 |
| Heavy Atoms | 29 |
| Complexity | 1086.4551 |
Chemical Identifiers
| CAS Number | 331841-41-9 |
|---|---|
| SMILES | CCCCCCCCSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C |
Product Overview
7-(2-chlorobenzyl)-3-methyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 331841-41-9), with molecular formula C21H27ClN4O2S and molecular weight 434.15433 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-3-methyl-8-octylsulfanylpurine-2,6-dione.
7-(2-chlorobenzyl)-3-methyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione is a custom synthesis product. We offer services from milligram to kilogram scale.
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